[4-[6-ethyl-5-[(4-methylphenyl)methyl]-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]-thiophen-2-yl-methanone

Systemtic Name: [4-[6-ethyl-5-[(4-methylphenyl)methyl]-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]-thiophen-2-yl-methanone Openeye Name: [4-[6-ethyl-2-phenyl-5-(p-tolylmethyl)pyrimidin-4-yl]piperazin-1-yl]-(2-thienyl)methanone CAS Name: [4-[6-ethyl-5-[(4-methylphenyl)methyl]-2-phenyl-4-pyrimidinyl]-1-piperazinyl]-thiophen-2-ylmethanone IUPAC Name: [4-[6-ethyl-5-[(4-methylphenyl)methyl]-2-phenylpyrimidin-4-yl]piperazin-1-yl]-thiophen-2-ylmethanone Traditional Name: [4-[6-ethyl-5-(4-methylbenzyl)-2-phenyl-pyrimidin-4-yl]piperazino]-(2-thienyl)methanone Formula: C29H30N4OS MolecularWeight: 482.6397

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCN(CC3)C(=O)C4=CC=CS4)CC5=CC=C(C=C5)C

Isomeric SMILES

CCC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCN(CC3)C(=O)C4=CC=CS4)CC5=CC=C(C=C5)C

InChI

InChI=1S/C29H30N4OS/c1-3-25-24(20-22-13-11-21(2)12-14-22)28(31-27(30-25)23-8-5-4-6-9-23)32-15-17-33(18-16-32)29(34)26-10-7-19-35-26/h4-14,19H,3,15-18,20H2,1-2H3